7-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

HCID 57338CAS 98105-79-4

기본 정보

표준 SMILES: O=C(O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2c1=O
InChIKey: FBAMWRYINJFGPJ-UHFFFAOYSA-N
분자식: C16H8ClF2NO3
평균 분자량: 335.69 g/mol
단동위원소 질량: 335.0160771

이름 및 식별자

우선 이름: 7-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
IUPAC: 7-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
영어명: 1-(p-Fluoro-phenyl-6-fluoro-7-chloro-4-oxo-3-quinolinecarboxylic acid
분자식: C16H8ClF2NO3
분자량: 335.69

이름 및 동의어

98105-79-47-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic AcidY7D63U5WUG3-Quinolinecarboxylic acid, 7-chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-RefChem:10744097-Chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidC16H8ClF2NO3MFCD041537577-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid7-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid7-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; Difloxacin Impurity GDifloxacin EP Impurity G

이름 더 보기

Difloxacin impurity GDifloxacin EP Impurituy G1-(p-Fluoro-phenyl-6-fluoro-7-chloro-4-oxo-3-quinolinecarboxylic acid7-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid1-(4-Fluorophenyl)-6-fluoro-7-chloro-1,4-dihydro-4-oxoquinoline-3-carboxylicacid1-4(4-FLUOROPHENYL)-6-FLUORO-7-CHLORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3- C ARBOXYLIC7-CHLORO-6-FLUORO-1-(4-FLUOROPHENYL)-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

7-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acidDifloxacin impurity G CRSUNII-Y7D63U5WUGAQ-405/42300515MLS001180944SCHEMBL8094811CHEMBL1472251SCHEMBL31683747

데이터베이스 식별자

CAS: 98105-79-4
PubChem CID: 57338
DTXSID: DTXSID90275624
ChEMBL: CHEMBL1472251
UNII: Y7D63U5WUG
Nikkaji: J811.636I

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 533

실험 및 물리화학적 성질

Solubility>50.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 260 · 260-264℃
끓는 점: 514 ℃ · 514℃
밀도: 1.584 · 1.584
인화점: 265 ℃ · 265℃
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
주요 응용: 의약품(소분자)
InChI: 1S/C16H8ClF2NO3/c17-12-6-14-10(5-13(12)19)15(21)11(16(22)23)7-20(14)9-3-1-8(18)2-4-9/h1-7H,(H,22,23)
InChIKey: FBAMWRYINJFGPJ-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)[n]2c3c([c](c(c2)C(=O)O)=O)cc(c(c3)Cl)F

화학 및 산업

응용 분야

용도7-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is a 1-arylated derivative of 1,4-dihydro-4-oxoquinoline-3-carboxylic acid with antibacterial activity.